5LCD

Structure of Polyphosphate Kinase from Meiothermus ruber bound to AMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-08-28
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.000010
Spacegroup name	P 43 21 2
Unit cell lengths	164.441, 164.441, 95.044
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	116.280 - 2.660
R-factor	0.21
Rwork	0.208
R-free	0.25300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5lc9
RMSD bond length	0.008
RMSD bond angle	0.950
Data reduction software	autoPROC (1.0.5)
Data scaling software	Aimless (0.5.14)
Phasing software	MOLREP
Refinement software	BUSTER-TNT (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	116.280	2.680
High resolution limit [Å]	2.660	2.660
Rmerge	0.322	2.089
Rmeas	0.329
Rpim	0.049
Total number of observations	1661253
Number of reflections	37790
<I/σ(I)>	17.3	2.4
Completeness [%]	99.6	99.4
Redundancy	44	31.2
CC(1/2)	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	8.5	298	PEG3350, Li2SO4